N-[(E)-2-diethoxyphosphoryl-4-methyl-3-oxidanyl-hept-4-enyl]pyridine-3-carboxamide

Systemtic Name: N-[(E)-2-diethoxyphosphoryl-4-methyl-3-oxidanyl-hept-4-enyl]pyridine-3-carboxamide Openeye Name: N-[(E)-2-diethoxyphosphoryl-3-hydroxy-4-methyl-hept-4-enyl]pyridine-3-carboxamide CAS Name: N-[(E)-2-diethoxyphosphoryl-3-hydroxy-4-methylhept-4-enyl]-3-pyridinecarboxamide IUPAC Name: N-[(E)-2-diethoxyphosphoryl-3-hydroxy-4-methylhept-4-enyl]pyridine-3-carboxamide Traditional Name: N-[(E)-2-diethoxyphosphoryl-3-hydroxy-4-methyl-hept-4-enyl]nicotinamide Formula: C18H29N2O5P MolecularWeight: 384.407021

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Descriptors Computed from Structure

Canonical SMILES:

CCC=C(C)C(C(CNC(=O)C1=CN=CC=C1)P(=O)(OCC)OCC)O

Isomeric SMILES

CC/C=C(\C)/C(C(CNC(=O)C1=CN=CC=C1)P(=O)(OCC)OCC)O

InChI

InChI=1S/C18H29N2O5P/c1-5-9-14(4)17(21)16(26(23,24-6-2)25-7-3)13-20-18(22)15-10-8-11-19-12-15/h8-12,16-17,21H,5-7,13H2,1-4H3,(H,20,22)/b14-9+